Nc1nnc(Cc2cc(C3OC(COCc4ccccc4)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)ccc2Cl)s1
SMILES: Nc1nnc(Cc2cc(C3OC(COCc4ccccc4)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)ccc2Cl)s1

Molecular Processing

Molecular formula
C43H42ClN3O5S
Molecular weight
748.35
Exact mass
747.2534
XLogP
8.78
TPSA
97.95
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
16
Heavy atoms
53
Rings
7
Aromatic rings
6
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.256
Molar refractivity
207.35

Supplementary Information

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